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Key Documents

SML3031

Sigma-Aldrich

Celecoxib

≥98% (HPLC)

Synonym(s):

Celecoxib, 4-[5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide, CJ-016377, CP-598107, PF-00345549, PHA-00846533, SC-58635, YM-17, YM-177

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About This Item

Empirical Formula (Hill Notation):
C17H14F3N3O2S
CAS Number:
Molecular Weight:
381.37
MDL number:
UNSPSC Code:
12352200

Quality Level

Assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

SMILES string

Cc1ccc(cc1)-c2cc(nn2-c3ccc(cc3)S(N)(=O)=O)C(F)(F)F

InChI

1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)

InChI key

RZEKVGVHFLEQIL-UHFFFAOYSA-N

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Biochem/physiol Actions

Celecoxib is a non-steroidal, anti-inflammatory drug (NSAID) and a cyclooxygenase-2 (COX-2) selective inhibitor. Celecoxib is at least 10-20 times more selective for COX-2 over COX-1.
Celecoxib is a non-steroidal, anti-inflammatory drug (NSAID) and a cyclooxygenase-2 (COX-2) selective inhibitor. Celecoxib is at least 10-20 times more selective for COX-2 over COX-1.

Pictograms

Health hazardEnvironment

Signal Word

Danger

Hazard Statements

Hazard Classifications

Aquatic Chronic 1 - Repr. 1B - STOT RE 2

Storage Class Code

6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


Certificates of Analysis (COA)

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